1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]ethanone

C23H25FN2O2 — CID 110828757

IUPAC1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]ethanone
SMILESCc1c(C(=O)CNCC(c2ccccc2)N2CCCC2)oc2ccc(F)cc12
InChIInChI=1S/C23H25FN2O2/c1-16-19-13-18(24)9-10-22(19)28-23(16)21(27)15-25-14-20(26-11-5-6-12-26)17-7-3-2-4-8-17/h2-4,7-10,13,20,25H,5-6,11-12,14-15H2,1H3
InChIKeyGMIWAVMAHLVKQL-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.49
Rot. Bonds7

About 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]ethanone

1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]ethanone (PubChem CID 110828757) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]ethanone.

Molecular Properties

Compound Name1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]ethanone
PubChem CID110828757
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC Name1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]ethanone
SMILESCc1c(C(=O)CNCC(c2ccccc2)N2CCCC2)oc2ccc(F)cc12
InChIInChI=1S/C23H25FN2O2/c1-16-19-13-18(24)9-10-22(19)28-23(16)21(27)15-25-14-20(26-11-5-6-12-26)17-7-3-2-4-8-17/h2-4,7-10,13,20,25H,5-6,11-12,14-15H2,1H3
InChIKeyGMIWAVMAHLVKQL-UHFFFAOYSA-N
XLogP4.49
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 52985399
5-fluoro-3-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 146052704
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 45136478
N-[2-(4-tert-butylphenyl)-2-morpholin-4-ylethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 45155245
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-(2-thiophen-2-ylethylamino)ethanone
CID 110824379
5-chloro-3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide
CID 35343024
2-(2-benzoylanilino)-1-(5-fluoro-3-methyl-1-benzofuran-2-yl)ethanone
CID 110828740
N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 35577223
1-(3-fluoro-4-methoxyphenyl)-2-[(2-phenyl-2-piperidin-1-ylethyl)amino]ethanone
CID 110825838
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 26206969
N-[(2R)-2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 42279228
(5-fluoro-3-methyl-1-benzofuran-2-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 17488293

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]ethanone?
The IUPAC name of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]ethanone (CID 110828757) is 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]ethanone.
What is the SMILES notation for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]ethanone?
The canonical SMILES for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]ethanone is Cc1c(C(=O)CNCC(c2ccccc2)N2CCCC2)oc2ccc(F)cc12.
What is the InChIKey of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]ethanone?
The InChIKey is GMIWAVMAHLVKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c1-16-19-13-18(24)9-10-22(19)28-23(16)21(27)15-25-14-20(26-11-5-6-12-26)17-7-3-2-4-8-17/h2-4,7-10,13,20,25H,5-6,11-12,14-15H2,1H3.
What are the key properties of 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]ethanone?
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]ethanone has a molecular weight of 380.46 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]ethanone is sourced from PubChem (CID 110828757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).